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followers: 289.0 following: 97.0 repos: 282.0 gists: 15.0

Name: Sebastian Ehlert

Type: User

Company: Microsoft Research AI4Science

Bio: Theoretical chemist, computational chemistry researcher, developing semi-empirical quantum chemistry in Fortran, Python, and sporadically C++.

Location: Amsterdam, Netherlands

Sebastian Ehlert's Projects

mfi icon mfi

Modern Fortran Interfaces to BLAS and LAPACK

mlir-pkgbuild icon mlir-pkgbuild

Arch Linux package build file for Multi-Level IR compiler framework for LLVM

molecule-input icon molecule-input

Input parser for different JSON based standarized chemical input formats.

molgym icon molgym

Reinforcement Learning for Molecular Design Guided by Quantum Mechanics

mpifx icon mpifx

Modern Fortran wrappers around MPI routines

mstore icon mstore

Molecular structure store for testing

multicharge icon multicharge

Electronegativity equilibration model for charges and multipoles

nlopt icon nlopt

library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization

nlopt-f icon nlopt-f

Fortran bindings for the NLopt library

ntpoly icon ntpoly

A massively parallel library for computing the functions of sparse matrices.

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